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1226452-86-3 | 2-METHYL-5-(PIPERAZIN-1-YL)-1,3-OXAZOLE-4-CARBONITRILE
CAS No: 1226452-86-3 Catalog No: AG01BULH MDL No:MFCD22121447
Product Description
Catalog Number:
AG01BULH
Chemical Name:
2-METHYL-5-(PIPERAZIN-1-YL)-1,3-OXAZOLE-4-CARBONITRILE
CAS Number:
1226452-86-3
Molecular Formula:
C9H12N4O
Molecular Weight:
192.2178
MDL Number:
MFCD22121447
IUPAC Name:
2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carbonitrile
InChI:
InChI=1S/C9H12N4O/c1-7-12-8(6-10)9(14-7)13-4-2-11-3-5-13/h11H,2-5H2,1H3
InChI Key:
BTSOQZZAXPALAY-UHFFFAOYSA-N
SMILES:
N#Cc1nc(oc1N1CCNCC1)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.222g/mol
Monoisotopic Mass:
192.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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